Information card for entry 4300208

Structure parameters

• Formula: C23 H37 N O S4 Se W
• Calculated formula: C23 H37 N O S4 Se W
• Title of publication: Synthesis and Structures of Bis(dithiolene)-Tungsten(IV) Complexes Related to the Active Sites of Tungstoenzymes
• Authors of publication: Kie-Moon Sung; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1275 - 1281
• a: 19.2516 ± 0.0004 Å
• b: 19.2618 ± 0.0003 Å
• c: 19.3633 ± 0.0004 Å
• α: 103.497 ± 0.001°
• β: 104.794 ± 0.001°
• γ: 116.17 ± 0.001°
• Cell volume: 5713.9 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No